Information card for entry 1512838

Structure parameters

• Formula: C20 H19 Cl N2 O Pt S
• Calculated formula: C20 H19 Cl N2 O Pt S
• SMILES: [Pt]12(Oc3c(N=[N]2c2c([S]1CCCC)cccc2)ccc1c3cccc1)Cl
• Title of publication: Synthesis, characterization, X-ray structure and spectroscopic study of platinum(II) complexes with tridentate diazene ligands having O,N,S donor set
• Authors of publication: Suvra Acharya; Ambica Kejriwal; Achintesh Narayan Biswas; Purak Das; Debatra Narayan Neogi; Pinaki Bandyopadhyay
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 757 - 764
• a: 11.478 ± 0.004 Å
• b: 8.913 ± 0.003 Å
• c: 18.736 ± 0.006 Å
• α: 90°
• β: 100.916 ± 0.004°
• γ: 90°
• Cell volume: 1882.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No